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ScientificNameLabel
2,3-dimethoxytoluene
PHCD compound ID : 455
Chemical Names :
2,3-dimethoxytoluene
Molecular Formula : C9H12O2
Molecular Weight : 152.08373
More Details :
Names & Synonyms: 1,2-dimethoxy-3-methyl-benzene , 1,2-dimethoxy-3-methylbenzene
Smiles: COc1c(OC)cccc1C
InChi : InChI=1S/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3
InChi Key : InChIKey=WMXFNCKPYCAIQW-UHFFFAOYSA-N
PubChem ID : 78215
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.370576
Hydrogen bond donor count : 0 Electric dipole moment : 1.831
XLogP : 1.477 VDW volume : 150.634939
Molecular weight : 152.08373 HOMO-LUMO gap : 8.747000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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